[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C16H9BrClN3O5 MolecularWeight: 438.61676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H9BrClN3O5/c17-12-6-3-10(7-13(12)21(23)24)16(22)25-8-14-19-20-15(26-14)9-1-4-11(18)5-2-9/h1-7H,8H2